SCHEMBL25004757

SCHEMBL25004757

CC(C)N1CC(c2ccccc2)C(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.38
KDM1A O60341 9/20 0.38
MAOA P21397 8/20 0.38
MAOB P27338 8/20 0.38
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRK1 P41145 1/20 0.34
ACHE P22303 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23993587 0.81 ALDH1A1 (0.41) MAPTKDM1AMAOAMAOBHRH3
SCHEMBL8025619 0.70 KDM1A (0.51) KIF11KDM1AMAOAMAOBCYP2D6
SCHEMBL8037056 0.70 KDM1A (0.51) KIF11KDM1AMAOAMAOBCYP2D6
SCHEMBL12030746 0.69 HRH3 (0.50) KIF11KDM1ACYP2D6HRH3KCNH2
SCHEMBL23993572 0.68 ALDH1A1 (0.41) MAPTHRH3ALDH1A1
SCHEMBL9939164 0.68 RIPK1 (0.38) TSHRSMN1; SMN2KDM1AMAOAMAOB
SCHEMBL18334117 0.67 KIF11 (0.44) SMN1; SMN2KIF11KDM1ACYP2D6HRH3
SCHEMBL1415636 0.67 KDM1A (0.54) KDM1AMAOAMAOB
SCHEMBL25004859 0.66
SCHEMBL25004857 0.66

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E MAPT 4826/4885TSHR 2272/4885SMN1; SMN2 3774/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.